2-(Propan-2-yl)-2,3-dihydro-1H-indazol-3-one → 1-(8-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-9-methyl-6-morpholino-9H-purin-2-yl)-2-isopropyl-1H-indazol-3(2H)-one

HRID 144503

반응식

HRID 144503 반응식
[CH:1]([CH3:2])([CH3:3])[n:4]1[nH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[c:12]1=[O:13].[Cl:14][c:15]1[n:16][c:17]([N:36]2[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[c:18]2[n:19][c:20]([CH2:25][N:26]3[CH2:27][CH2:28][CH:29]([C:32]([CH3:33])([CH3:34])[OH:35])[CH2:30][CH2:31]3)[n:21]([CH3:24])[c:22]2[n:23]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5](-[c:15]2[n:16][c:17]([N:36]3[CH2:37][CH2:38][O:39][CH2:40][CH2:41]3)[c:18]3[n:19][c:20]([CH2:25][N:26]4[CH2:27][CH2:28][CH:29]([C:32]([CH3:33])([CH3:34])[OH:35])[CH2:30][CH2:31]4)[n:21]([CH3:24])[c:22]3[n:23]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[c:12]1=[O:13]

참가 물질

3

반응물 2

HCID 513613212-(Propan-2-yl)-2,3-dihydro-1H-indazol-3-oneHCID 596034262-(1-((2-chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

생성물 1

HCID 596054321-(8-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-9-methyl-6-morpholino-9H-purin-2-yl)-2-isopropyl-1H-indazol-3(2H)-one

출처 및 근거

ORD 기록
ord-165a96d84bca4b18b99fe18f0f8fcaa3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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